(2R)-1-(azepan-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]propan-1-one Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3OS/c1-15-14-18(17-10-6-5-7-11-17)22-20(21-15)25-16(2)19(24)23-12-8-3-4-9-13-23/h5-7,10-11,14,16H,3-4,8-9,12-13H2,1-2H3/t16-/m1/s1